Vitas-M small molecule compound

ethyl (2E)-2-[(4aR,6aS,6bS)-6b-acetyl-4a,6a-dimethyl-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-2H-indeno[2,1-a]phenanthren-2-ylidene]hydrazinecarboxylate

Catalog ID
STK747482
SMILES CCOC(=O)N/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CC1[C@]2(CCCC1)C(=O)C)C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C28H42N2O3 MW 454.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H42N2O3/c1-5-33-25(32)30-29-21-11-14-26(3)19(16-21)9-10-22-23(26)12-15-27(4)24(22)17-20-8-6-7-13-28(20,27)18(2)31/h16,20,22-24H,5-15,17H2,1-4H3,(H,30,32)/b29-21+/t20?,22?,23?,24?,26-,27-,28-/m0/s1
InChIKey
ZGBFIPQSPKDRKC-RQDVIBFTSA-N
Synonyms

CCOC(=O)NN=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CC1(C@)2(CCCC1)C(=O)C)C)C
CCOC(=O)NN=C1CCC2(C3CCC4(C(C3CCC2=C1)CC5C4(CCCC5)C(=O)C)C)C
ethyl(2E)2((4aR6aS6bS)6bacetyl4a6adimethyl344a4b566a6b7891010a1111a11b1213octadecahydro2Hindeno(21a)phenanthren2ylidene)hydrazinecarboxylate
ethylN((E)((4aR6aS6bS)6bacetyl4a6adimethyl44b567891010a1111a11b1213tetradecahydro3Hindeno(21a)phenanthren2ylidene)amino)carbamate
InChI=1SC28H42N2O3c153325(32)302921111426(3)19(1621)9102223(26)121527(4)24(22)17208671328(2027)18(2)31h16202224H51517H214H3(H3032)b2921+t20?22?23?24?262728m0s1
ZINC000253503788
ZINC000253503802

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.